3,5,5-trimethyl-1-[2-methyl-4-[5-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentanoyl]piperazin-1-yl]hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-[2-methyl-4-[5-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentanoyl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[5-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]pentanoyl]-2-methyl-piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 3,5,5-trimethyl-1-[2-methyl-4-[1-oxo-5-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]pentyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[5-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]pentanoyl]-2-methylpiperazin-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[4-[5-[(5-benzyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]pentanoyl]-2-methyl-piperazino]-3,5,5-trimethyl-hexan-1-one Formula: C35H46N6O2S MolecularWeight: 614.84374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)CC(C)(C)C)C(=O)CCCCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)CC(C)(C)C)C(=O)CCCCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2

InChI

InChI=1S/C35H46N6O2S/c1-25(22-35(3,4)5)21-31(43)40-19-18-39(23-26(40)2)30(42)17-11-12-20-44-34-36-33-32(37-38-34)28-15-9-10-16-29(28)41(33)24-27-13-7-6-8-14-27/h6-10,13-16,25-26H,11-12,17-24H2,1-5H3